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Molecule
2,2,3,3-Tetrachloro-1,1,1,4,4,4-Hexafluorobutane
CAS: 375-34-8 · C4Cl4F6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 375-34-8
- Molecular Formula
- C4Cl4F6
- Molecular Mass
- 303.84 g/mol
Identifiers
CAS Registry Number
375-34-8
SMILES
FC(F)(F)C(Cl)(Cl)C(Cl)(Cl)C(F)(F)F
InChI Key
BZBLUUDREZEDDJ-UHFFFAOYSA-N
InChI
InChI=1S/C4Cl4F6/c5-1(6,3(9,10)11)2(7,8)4(12,13)14
Names and Synonyms
- 2,2,3,3-Tetrachloro-1,1,1,4,4,4-Hexafluorobutane Systematic Name
- Butane, 2,2,3,3-tetrachloro-1,1,1,4,4,4-hexafluoro- Synonym
- Butane, 2,2,3,3-tetrachlorohexafluoro- Synonym
- 2,2,3,3-Tetrachloro-1,1,1,4,4,4-hexafluorobutane Synonym
- FC 316maa Synonym
- CFC 316 Synonym
- 1,1,1,4,4,4-Hexafluoro-2,2,3,3-tetrachlorobutane Synonym
- NSC 60525 Synonym
- 2,2,3,3-Tetrachlorohexafluorobutane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 303.84 g/mol | CAS Common Chemistry |
| 303.844 g/mol | RDKit | |
| 303.832 g/mol | chempirical lib | |
| Boiling Point | 131 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(Cl)(Cl)C(Cl)(Cl)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C4Cl4F6/c5-1(6,3(9,10)11)2(7,8)4(12,13)14 | CAS Common Chemistry |
| InChI Key | InChIKey=BZBLUUDREZEDDJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 83-84 °C | CAS Common Chemistry |
| Name | 2,2,3,3-Tetrachloro-1,1,1,4,4,4-hexafluorobutane | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.4588 | RDKit |
| Molar Refractivity | 40.983999999999995 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 301.86583004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
120
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 303.84 g/mol. Edit any field — others recompute live.
